CID 25961

Cpd 377;isonicophen;phenoxalid

Structural Information

Molecular Formula
C15H13N3O4
SMILES
C1=CC=C(C(=C1)C=NNC(=O)C2=CC=NC=C2)OCC(=O)O
InChI
InChI=1S/C15H13N3O4/c19-14(20)10-22-13-4-2-1-3-12(13)9-17-18-15(21)11-5-7-16-8-6-11/h1-9H,10H2,(H,18,21)(H,19,20)
InChIKey
MDFXJBQEWLCGHP-UHFFFAOYSA-N
Compound name
2-[2-[(pyridine-4-carbonylhydrazinylidene)methyl]phenoxy]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

11
References

2455
Patents

299.0906 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.09788 165.7
[M+Na]+ 322.07982 170.9
[M-H]- 298.08332 170.9
[M+NH4]+ 317.12442 178.0
[M+K]+ 338.05376 168.3
[M+H-H2O]+ 282.08786 156.1
[M+HCOO]- 344.08880 189.9
[M+CH3COO]- 358.10445 205.2
[M+Na-2H]- 320.06527 171.3
[M]+ 299.09005 166.7
[M]- 299.09115 166.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe